2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide

C16H30N4O2 — CID 120775612

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)CC(=O)NC1CC1)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C16H30N4O2/c1-11(20-8-7-13(17)16(2,3)10-20)15(22)19(4)9-14(21)18-12-5-6-12/h11-13H,5-10,17H2,1-4H3,(H,18,21)
InChIKeyGEQGRDGSGIABSQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP0.17
Rot. Bonds5

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 120775612) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
PubChem CID120775612
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)CC(=O)NC1CC1)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C16H30N4O2/c1-11(20-8-7-13(17)16(2,3)10-20)15(22)19(4)9-14(21)18-12-5-6-12/h11-13H,5-10,17H2,1-4H3,(H,18,21)
InChIKeyGEQGRDGSGIABSQ-UHFFFAOYSA-N
XLogP0.17
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide
CID 120775751
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N,N-diethylpropanamide;hydrochloride
CID 120774556
(2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95307830
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylmethoxypiperidin-1-yl)propanamide
CID 86919311
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-carbamoylpropanamide
CID 120776742
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride
CID 120775307
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methylpropanamide
CID 87018281
(2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
CID 61173174
(2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide
CID 97218782
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride
CID 120775248
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 76893534

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide (CID 120775612) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide is CC(C(=O)N(C)CC(=O)NC1CC1)N1CCC(N)C(C)(C)C1.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is GEQGRDGSGIABSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-11(20-8-7-13(17)16(2,3)10-20)15(22)19(4)9-14(21)18-12-5-6-12/h11-13H,5-10,17H2,1-4H3,(H,18,21).
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 310.44 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 120775612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).